7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine

C15H21NO — CID 79726190

IUPAC7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine
SMILESCNC1c2cc(OC)cc3c2C(CCC3)C1C
InChIInChI=1S/C15H21NO/c1-9-12-6-4-5-10-7-11(17-3)8-13(14(10)12)15(9)16-2/h7-9,12,15-16H,4-6H2,1-3H3
InChIKeyWELWVKSUYYHDBZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.03
Rot. Bonds2

About 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine

7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine (PubChem CID 79726190) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine.

Molecular Properties

Compound Name7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine
PubChem CID79726190
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine
SMILESCNC1c2cc(OC)cc3c2C(CCC3)C1C
InChIInChI=1S/C15H21NO/c1-9-12-6-4-5-10-7-11(17-3)8-13(14(10)12)15(9)16-2/h7-9,12,15-16H,4-6H2,1-3H3
InChIKeyWELWVKSUYYHDBZ-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-7-methoxy-1,2,3,3a,4,5-hexahydroacenaphthylene
CID 63821201
6-methoxy-N,2,3-trimethyl-2,3-dihydro-1H-inden-1-amine
CID 79726730
(1R)-8-iodo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131111271
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 10563844
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
2-tert-butylsulfinyl-7-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79247695
6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 10912995
2-N-cyclopentyl-7-methoxy-1-N,2-N-dimethyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 79232382
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
7-methoxy-2-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 12827785
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine?
The IUPAC name of 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine (CID 79726190) is 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine.
What is the SMILES notation for 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine?
The canonical SMILES for 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine is CNC1c2cc(OC)cc3c2C(CCC3)C1C.
What is the InChIKey of 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine?
The InChIKey is WELWVKSUYYHDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-9-12-6-4-5-10-7-11(17-3)8-13(14(10)12)15(9)16-2/h7-9,12,15-16H,4-6H2,1-3H3.
What are the key properties of 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine?
7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N,2-dimethyl-1,2,3,3a,4,5-hexahydroacenaphthylen-1-amine is sourced from PubChem (CID 79726190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).